3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline

C18H20FNO2 — CID 91408824

IUPAC3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2cccc(F)c2)cc1OC1CCC1
InChIInChI=1S/C18H20FNO2/c1-21-17-9-8-15(11-18(17)22-16-6-3-7-16)20-12-13-4-2-5-14(19)10-13/h2,4-5,8-11,16,20H,3,6-7,12H2,1H3
InChIKeyNGLXOQZOFKJKGL-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.38
Rot. Bonds6

About 3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline

3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline (PubChem CID 91408824) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline
PubChem CID91408824
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2cccc(F)c2)cc1OC1CCC1
InChIInChI=1S/C18H20FNO2/c1-21-17-9-8-15(11-18(17)22-16-6-3-7-16)20-12-13-4-2-5-14(19)10-13/h2,4-5,8-11,16,20H,3,6-7,12H2,1H3
InChIKeyNGLXOQZOFKJKGL-UHFFFAOYSA-N
XLogP4.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine
CID 152616446
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
CID 10293339
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline
CID 22747705
3-chloro-4-(difluoromethoxy)-N-[(3-fluorophenyl)methyl]aniline
CID 28553815
N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline
CID 22747580
N-[3-[(3-fluorophenyl)methylamino]-4-methoxyphenyl]acetamide
CID 24583317
4-chloro-N-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]aniline
CID 3348285
N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline
CID 79969085
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
3-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 43380515

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline?
The IUPAC name of 3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline (CID 91408824) is 3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline.
What is the SMILES notation for 3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline?
The canonical SMILES for 3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline is COc1ccc(NCc2cccc(F)c2)cc1OC1CCC1.
What is the InChIKey of 3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline?
The InChIKey is NGLXOQZOFKJKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-21-17-9-8-15(11-18(17)22-16-6-3-7-16)20-12-13-4-2-5-14(19)10-13/h2,4-5,8-11,16,20H,3,6-7,12H2,1H3.
What are the key properties of 3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline?
3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline has a molecular weight of 301.36 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline is sourced from PubChem (CID 91408824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).